1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine
TL;DR: 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine (CAS 461646-03-7) is a chemical compound with molecular formula C22H22N4O4S2 and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine
Also Known As: 1-benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine, 1-(benzylsulfonyl)-4-[4-nitro-3-(pyridin-2-ylsulfanyl)phenyl]piperazine, 1-benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazine, Cambridge id 7283175
| Molecular Formula | C22H22N4O4S2 |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 3.793 |
| Topological Polar Surface Area | 96.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.10825 |
| Heavy Atoms | 32 |
| Complexity | 1183.0674 |
Chemical Identifiers
| CAS Number | 461646-03-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3)S(=O)(=O)CC4=CC=CC=C4 |
Product Overview
1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine (CAS 461646-03-7), with molecular formula C22H22N4O4S2 and molecular weight 470.11 g/mol. IUPAC: 1-benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine.
Chemical Property Profile of 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine
Property Insights of 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine
The XLogP value of 3.793 indicates that 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine. Following Lipinski's Rule of Five, 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine?
The CAS number of 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine is 461646-03-7.
What is the molecular formula of 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine?
The molecular formula of 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine is C22H22N4O4S2.
What is the molecular weight of 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine?
The molecular weight of 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine is 470.11 g/mol.
Where can I buy 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine?
You can request a quote for 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylsulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.